SCHEMBL7549381

SCHEMBL7549381

C/C(=C/C=O)c1ccc(C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.42
KMT2A Q03164 3/20 0.41
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRB2 P47870 1/20 0.38
HSD11B1 P28845 1/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
CYP2A6 P11509 1/20 0.35
NPC1 O15118 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7549382 1.00 NFE2L2 (0.42) NFE2L2KMT2ATP53TDP1SMN1; SMN2
SCHEMBL14493404 0.83 NPC1 (0.44) KMT2ATP53TDP1SMN1; SMN2HTT
SCHEMBL27875939 0.79 TP53 (0.44) NFE2L2KMT2ATP53TDP1SMN1; SMN2
SCHEMBL14531272 0.77 NFE2L2 (0.46) NFE2L2KMT2ATP53TDP1SMN1; SMN2
SCHEMBL20942903 0.76 SMN1; SMN2 (0.41) SMN1; SMN2HTTNPC1RAB9A
SCHEMBL20942904 0.76 SMN1; SMN2 (0.41) SMN1; SMN2HTTNPC1RAB9A
SCHEMBL6784404 0.76 NFE2L2 (0.45) NFE2L2KMT2ATP53TDP1SMN1; SMN2
SCHEMBL9609532 0.75 ALDH1A1 (0.46) KMT2ATDP1SMN1; SMN2HTTGAA
SCHEMBL11649733 0.75 ALDH1A1 (0.46) KMT2ATDP1SMN1; SMN2HTTGAA
SCHEMBL30450782 0.75 ALDH1A1 (0.46) KMT2ATDP1SMN1; SMN2HTTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313354-B1 PERFUME HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-06 US claimed
EP-0973713-B1 METHOD FOR PRODUCING AROMATIC ALDEHYDES COGNIS DEUTSCHLAND GMBH (DE) 2002-06-12 EP disclosed
US-6313354-B1 PERFUME HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-06 US disclosed
EP-0973713-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES Cognis Deutschland GmbH (DE) 2000-01-26 EP disclosed
WO-1998045237-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES COGNIS DEUTSCHLAND GMBH (DE) 1998-10-15 WO disclosed